Glycoside
...
GD109593

Name:
None

Formula:
C32H32O14

Smiles:
CC(=O)OC[C@H]1O[C@@H](O[C@@H]2CCCc3c(O)c4c(c(O)c32)C(=O)c2ccccc2C4=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.O=C1c2ccccc2C(=O)c2c(O)c3c(c(O)c21)CCCC3O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 14 RingCount: 5
HBD: 2 FractionCSP3: 0.44
AlogP: 2.35 Num_rotatable_bonds: 7
MolWt: 640.59 Num_heavy_atoms: 46
TPSA: 198.26 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD43840
Formula: C18H14O5

Smiles:
O=C1c2ccccc2C(=O)c2c(O)c3c(c(O)c21)CCCC3O
HBA: 5 RingCount: 4
HBD: 3 FractionCSP3: 0.22
AlogP: 2.24 Num_rotatable_bonds: 0
MolWt: 310.31 Num_heavy_atoms: 23
TPSA: 94.83 NumAromaticRings: 2

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O